BH6Ru
Alexandria ALEXAlex-ID: agm079448659 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_112_spg2
BH9 Ru BRu
2025-06-26 14:09:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079448659).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm079448659
data_agm079448659
_cell_length_a 4.04864
_cell_length_b 3.83939
_cell_length_c 5.32742
_cell_angle_alpha 72.48927
_cell_angle_beta 64.83887
_cell_angle_gamma 62.70640
_cell_volume 66.02885
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B1 B 0.53617 0.66143 0.21284 1.00000
H1 H 0.15404 0.75339 0.91168 1.00000
H2 H 0.50000 0.02872 0.17082 1.00000
H3 H 0.25386 0.95617 0.82454 1.00000
H4 H 0.17239 0.63477 0.34640 1.00000
H5 H 0.73948 0.50252 0.97078 1.00000
H6 H 0.67628 0.40393 0.41241 1.00000
Ru1 Ru 0.96778 0.05905 0.15054 1.00000
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